CAS RN: 928118-13-2
Phenol, 2-amino-6-fluoro-4-nitro-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251201 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS928118-13-2
- Purity/Analytical Methods: >99.0%
928118-13-2 / 2-amino-6-fluoro-4-nitrophenol
Basic Information
CAS
928118-13-2
Multi CAS
No
Molecular Formula
C6FH5N2O3
Molecular Weight
172.110000
Exact Mass
172.028420
InChI
InChI=1S/C6H5FN2O3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H,8H2
InChIKey
IEUSTEIALPMDEF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
39.13
TPSA
89.39
LogP / Solubility
WLOGP
1.02
MLOGP
0.9
XLogP3
1
Consensus LogP
0.97
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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